1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea

C16H16FN3O2S — CID 16805934

IUPAC1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H16FN3O2S/c17-11-3-5-13(6-4-11)20-10-12(8-15(20)21)19-16(22)18-9-14-2-1-7-23-14/h1-7,12H,8-10H2,(H2,18,19,22)
InChIKeyBDGDVWIFJYEDBJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.49
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea

1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 16805934) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
PubChem CID16805934
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H16FN3O2S/c17-11-3-5-13(6-4-11)20-10-12(8-15(20)21)19-16(22)18-9-14-2-1-7-23-14/h1-7,12H,8-10H2,(H2,18,19,22)
InChIKeyBDGDVWIFJYEDBJ-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(2-Methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
Piperidine-1,3-dicarboxylic acid 1-phenylamide 3-[(thiophen-2-ylmethyl)-amide]
CID 3222834
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-2-thien-2-ylethyl}-2-thien-2-ylacetamide
CID 3235882
N-[1-(4-Phenylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]propanamide
CID 3240113
N-[1-(4-Phenylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]butanamide
CID 3242770
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918725
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 16189251

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea (CID 16805934) is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BDGDVWIFJYEDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c17-11-3-5-13(6-4-11)20-10-12(8-15(20)21)19-16(22)18-9-14-2-1-7-23-14/h1-7,12H,8-10H2,(H2,18,19,22).
What are the key properties of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 333.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 16805934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).